SCHEMBL28037869

SCHEMBL28037869

CC(=NNC(=O)C1=NNC(=O)CC1)C(C)N(C(=S)NN)C(C)C(C)=NNC(=O)C1=NNC(=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
RECQL P46063 1/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMYD3 Q9H7B4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.31
MME P08473 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28037625 0.90 GAA (0.45) GAARECQLNPC1RAB9ASMYD3
SCHEMBL28037867 0.75 GAA (0.51) GAARECQLNPC1RAB9ASMYD3
SCHEMBL28037624 0.72 GAA (0.54) GAARECQLNPC1RAB9ASMYD3
SCHEMBL28037870 0.72 GAA (0.50) GAARECQLNPC1RAB9ASMYD3
SCHEMBL13938473 0.62 NPC1 (0.46) GAARECQLNPC1RAB9ASMYD3
SCHEMBL21490105 0.60 SMYD3 (0.60) SMYD3
SCHEMBL5201218 0.59 SMYD3 (0.44) GAARECQLNPC1RAB9ASMYD3
SCHEMBL23575953 0.59 SMYD3 (0.70) NPC1RAB9ASMYD3L3MBTL1MAPT
SCHEMBL19701378 0.59 SMYD3 (0.70) NPC1RAB9ASMYD3L3MBTL1MAPT
SCHEMBL23576033 0.55 SMYD3 (1.00) SMYD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105017197-A Semicarbazone compound preparation method and application in biomedicine UNIV HUAZHONG NORMAL 2015-11-04 CN disclosed